Molecule ID: mol37937
SMILES: O=C1/C(=N\Nc2ccccc2C(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21
InChI: InChI=1S/C17H12N2O9S2/c20-16-11-6-5-10(29(23,24)25)7-9(11)8-14(30(26,27)28)15(16)19-18-13-4-2-1-3-12(13)17(21)22/h1-8,18H,(H,21,22)(H,23,24,25)(H,26,27,28)/b19-15-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.20 | QSARToolbox | 0 » -1 |